2-(4-fluoranylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-(4-fluoranylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-(4-fluorophenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-(4-fluorophenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-(4-fluorophenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-(4-fluorophenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C50H33FN4O MolecularWeight: 724.821623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)OC9=CC=C(C=C9)F)C1=CC=CC=C1)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)OC9=CC=C(C=C9)F)C1=CC=CC=C1)N3

InChI

InChI=1S/C50H33FN4O/c51-36-21-23-37(24-22-36)56-45-31-44-48(34-17-9-3-10-18-34)42-28-27-40(53-42)46(32-13-5-1-6-14-32)38-25-26-39(52-38)47(33-15-7-2-8-16-33)41-29-30-43(54-41)49(50(45)55-44)35-19-11-4-12-20-35/h1-31,53,55H